Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7572906 | 1.00 | CYP3A4 (0.42) | CYP3A4TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL7573397 | 0.99 | ALDH1A1 (0.41) | CYP3A4TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL7573396 | 0.99 | ALDH1A1 (0.41) | CYP3A4TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL7582112 | 0.94 | ALDH1A1 (0.41) | CYP3A4TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL7582121 | 0.94 | ALDH1A1 (0.41) | CYP3A4TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL7580899 | 0.88 | GRIN1 (0.38) | ALDH1A1KDM4EMAPTHPGDALOX12 | |
| SCHEMBL7580909 | 0.88 | GRIN1 (0.38) | ALDH1A1KDM4EMAPTHPGDALOX12 | |
| SCHEMBL7574211 | 0.84 | MAPT (0.38) | CYP3A4TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL7574208 | 0.84 | MAPT (0.38) | CYP3A4TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL7579094 | 0.82 | MAPT (0.38) | TSHRMAPTHPGDTDP1GRIN2D |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5756769-A | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |